MedKoo Cat#: 563256 | Name: CDE-096

Description:

WARNING: This product is for research use only, not for human or veterinary use.

CDE-096 is an inactivator of plasminogenactivator inhibitor-1 (PAI-1).

Chemical Structure

CDE-096
CAS#1228357-04-7

Theoretical Analysis

MedKoo Cat#: 563256

Name: CDE-096

CAS#: 1228357-04-7

Chemical Formula: C25H20F3NO12

Exact Mass: 583.0938

Molecular Weight: 583.42

Elemental Analysis: C, 51.47; H, 3.46; F, 9.77; N, 2.40; O, 32.91

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
CDE-096; CDE 096; CDE096;
IUPAC/Chemical Name
3-(((3-(trifluoromethyl)phenoxy)carbonyl)amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
InChi Key
OXWKLJPAKUDPJY-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H20F3NO12/c26-25(27,28)13-2-1-3-14(8-13)41-24(38)29-9-15(40-23(37)12-6-18(32)21(35)19(33)7-12)10-39-22(36)11-4-16(30)20(34)17(31)5-11/h1-8,15,30-35H,9-10H2,(H,29,38)
SMILES Code
O=C(NCC(OC(C1=CC(O)=C(O)C(O)=C1)=O)COC(C2=CC(O)=C(O)C(O)=C2)=O)OC3=CC=CC(C(F)(F)F)=C3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 583.42 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Li SH, Reinke AA, Sanders KL, Emal CD, Whisstock JC, Stuckey JA, Lawrence DA. Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1. Proc Natl Acad Sci U S A. 2013 Dec 17;110(51):E4941-9. doi: 10.1073/pnas.1216499110. Epub 2013 Dec 2. PubMed PMID: 24297881; PubMed Central PMCID: PMC3870673.